[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine

C14H11Cl4NO — CID 107305827

IUPAC[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl4NO/c15-10-4-9(6-19)14(12(17)5-10)20-7-8-2-1-3-11(16)13(8)18/h1-5H,6-7,19H2
InChIKeyCSEMGTCCQUTUOS-UHFFFAOYSA-N
MW351.06 g/mol
LogP5.34
Rot. Bonds4

About [3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine

[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine (PubChem CID 107305827) has the molecular formula C14H11Cl4NO and a molecular weight of 351.06 g/mol. Its IUPAC name is [3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
PubChem CID107305827
Molecular FormulaC14H11Cl4NO
Molecular Weight351.06 g/mol
Exact Mass348.96
IUPAC Name[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl4NO/c15-10-4-9(6-19)14(12(17)5-10)20-7-8-2-1-3-11(16)13(8)18/h1-5H,6-7,19H2
InChIKeyCSEMGTCCQUTUOS-UHFFFAOYSA-N
XLogP5.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.06
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene
CID 107306917
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
4-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-3-chlorobenzonitrile
CID 102663661
[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951928
5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene
CID 107306943
[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine
CID 63499735
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607692
[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
CID 22688679
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 60890014
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine (CID 107305827) is [3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine is NCc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1Cl.
What is the InChIKey of [3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine?
The InChIKey is CSEMGTCCQUTUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4NO/c15-10-4-9(6-19)14(12(17)5-10)20-7-8-2-1-3-11(16)13(8)18/h1-5H,6-7,19H2.
What are the key properties of [3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine?
[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine has a molecular weight of 351.06 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107305827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).